CID 82551

10333-53-6

Structural Information

Molecular Formula

C₁₃H₃₀N₂

SMILES

CCCN(CCC)CN(CCC)CCC

InChI

InChI=1S/C13H30N2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5-13H2,1-4H3

InChIKey

NGCFMKFMMGSXJO-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetrapropylmethanediamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 214.2409 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.24818	159.8
[M+Na]+	237.23012	162.8
[M-H]-	213.23362	161.7
[M+NH4]+	232.27472	179.4
[M+K]+	253.20406	163.4
[M+H-H2O]+	197.23816	152.8
[M+HCOO]-	259.23910	184.3
[M+CH3COO]-	273.25475	205.2
[M+Na-2H]-	235.21557	161.9
[M]+	214.24035	164.7
[M]-	214.24145	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe